[5-[4-(bromomethyl)phenyl]-2-butoxy-phenyl]phosphonic acid

Systemtic Name: [5-[4-(bromomethyl)phenyl]-2-butoxy-phenyl]phosphonic acid Openeye Name: [5-[4-(bromomethyl)phenyl]-2-butoxy-phenyl]phosphonic acid CAS Name: [5-[4-(bromomethyl)phenyl]-2-butoxyphenyl]phosphonic acid IUPAC Name: [5-[4-(bromomethyl)phenyl]-2-butoxyphenyl]phosphonic acid Traditional Name: [5-[4-(bromomethyl)phenyl]-2-butoxy-phenyl]phosphonic acid Formula: C17H20BrO4P MolecularWeight: 399.216061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)CBr)P(=O)(O)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)CBr)P(=O)(O)O

InChI

InChI=1S/C17H20BrO4P/c1-2-3-10-22-16-9-8-15(11-17(16)23(19,20)21)14-6-4-13(12-18)5-7-14/h4-9,11H,2-3,10,12H2,1H3,(H2,19,20,21)